methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(3-morpholin-4-ylphenyl)pent-4-ynoate

Systemtic Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(3-morpholin-4-ylphenyl)pent-4-ynoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-5-(3-morpholinophenyl)pent-4-ynoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-[3-(4-morpholinyl)phenyl]-4-pentynoic acid methyl ester IUPAC Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(3-morpholin-4-ylphenyl)pent-4-ynoate Traditional Name: 2-(tert-butoxycarbonylamino)-5-(3-morpholinophenyl)pent-4-ynoic acid methyl ester Formula: C21H28N2O5 MolecularWeight: 388.45742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC#CC1=CC(=CC=C1)N2CCOCC2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC#CC1=CC(=CC=C1)N2CCOCC2)C(=O)OC

InChI

InChI=1S/C21H28N2O5/c1-21(2,3)28-20(25)22-18(19(24)26-4)10-6-8-16-7-5-9-17(15-16)23-11-13-27-14-12-23/h5,7,9,15,18H,10-14H2,1-4H3,(H,22,25)